![CAS 1430738-03-6 5-methoxy-2-nitro-4-[[tris(1-methylethyl)silyl]oxy]Benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1430738-03-6.gif)
CAS RN: 1430738-03-6
5-methoxy-2-nitro-4-[[tris(1-methylethyl)silyl]oxy]Benzoic acid
- Product code: SSC-054400
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1430738-03-6 / 5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxybenzoic acid
Basic Information
CAS
1430738-03-6
Multi CAS
No
Molecular Formula
C17H27NO6Si
Molecular Weight
369.500000
Exact Mass
369.160764
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)O)OC
InChI
InChI=1S/C17H27NO6Si/c1-10(2)25(11(3)4,12(5)6)24-16-9-14(18(21)22)13(17(19)20)8-15(16)23-7/h8-12H,1-7H3,(H,19,20)
InChIKey
ZREAUMPQOSIHOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.28
TPSA
98.9
LogP / Solubility
WLOGP
4.86
MLOGP
4.29
XLogP3
4.86
Consensus LogP
4.67
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-Pyridinecarboxylic acid, 3-broMo-6-fluoro-, 1,1-diMethylethyl ester
- CAS RN: 1430753-76-6
- Product Code: SSC-054411
-
PF-05089771 (tosylate)
- CAS RN: 1430806-04-4
- Product Code: starshine_CAS1430806-04-4
- Purity/Analytical method: >99.0%
-
(9R)-9-aMino-10,11-dihydro-Cinchonan-6′-ol
- CAS RN: 1430820-98-6
- Product Code: starshine_CAS1430820-98-6
- Purity/Analytical method: >99.0%
-
3,5-Diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane, 1-(4-sulfobutyl)-, inner salt
- CAS RN: 1430837-91-4
- Product Code: SSC-054419
-
4-Amino-1-Boc-7-bromo-3,4-dihydro-2H-quinoline hydrochloride
- CAS RN: 1430839-89-6
- Product Code: SSC-054420
-
6-Cyclopropyl-1,6-dihydropyridazin-3(2H)-one
- CAS RN: 1430839-92-1
- Product Code: SSC-054421
.gif)
![CAS 1430837-91-4 3,5-Diaza-1-azonia-7-phosphatricyclo[3.3.1.13,7]decane, 1-(4-sulfobutyl)-, inner salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1430837-91-4.gif)
